5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1303 |
| Compound Name: | 5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(CCc2cccc(c2)OC)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9576 |
| logD: | 2.9514 |
| logSw: | -3.1458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.753 |
| InChI Key: | LSCZPTUXJKENAN-UHFFFAOYSA-N |